CID 2063589

(3e)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one

Structural Information

Molecular Formula
C6H8F3NO
SMILES
CN(C)/C=C/C(=O)C(F)(F)F
InChI
InChI=1S/C6H8F3NO/c1-10(2)4-3-5(11)6(7,8)9/h3-4H,1-2H3/b4-3+
InChIKey
OPFMBYIQGSJDOB-ONEGZZNKSA-N
Compound name
(E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

37
Patents

167.0558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06308 130.1
[M+Na]+ 190.04502 137.7
[M-H]- 166.04852 128.1
[M+NH4]+ 185.08962 151.0
[M+K]+ 206.01896 137.7
[M+H-H2O]+ 150.05306 123.0
[M+HCOO]- 212.05400 150.4
[M+CH3COO]- 226.06965 183.7
[M+Na-2H]- 188.03047 134.4
[M]+ 167.05525 126.8
[M]- 167.05635 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe